2-(2-bromanyl-4-chloranyl-phenoxy)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2-(2-bromanyl-4-chloranyl-phenoxy)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-(2-bromo-4-chloro-phenoxy)-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-(2-bromo-4-chlorophenoxy)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-(2-bromo-4-chlorophenoxy)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-(2-bromo-4-chloro-phenoxy)-1-[4-(2-thenyl)-1,4-diazepan-1-yl]propan-1-one Formula: C19H22BrClN2O2S MolecularWeight: 457.81218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=CC=CS2)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=CC=CS2)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C19H22BrClN2O2S/c1-14(25-18-6-5-15(21)12-17(18)20)19(24)23-8-3-7-22(9-10-23)13-16-4-2-11-26-16/h2,4-6,11-12,14H,3,7-10,13H2,1H3